============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 8 1.000 21.064 59.433 128.053 -99.200 -91.000 PHE 16 1.000 27.070 58.889 126.828 -99.200 -91.000 HIS 20 0.900 31.774 56.214 125.758 -99.200 -91.000 HIS 40 0.900 16.255 48.447 130.337 -99.200 -91.000 TYR 44 0.840 19.545 45.509 127.265 -99.200 -91.000 TYR 48 0.840 20.450 54.096 115.810 -99.200 -91.000 HIS 49 0.900 19.448 45.919 117.112 -99.200 -91.000 PHE 51 1.000 27.472 52.609 125.314 -99.200 -91.000 TYR 57 0.840 21.063 51.720 138.095 -99.200 -91.000 TYR 61 0.840 28.392 60.647 140.343 -99.200 -91.000 TYR 63 0.840 29.150 55.039 138.387 -99.200 -91.000 TRP 82 1.040 23.276 72.980 132.808 -99.200 -91.000 TRP6 82 1.020 23.258 70.794 131.908 -99.200 -91.000 PHE 97 1.000 12.814 73.255 128.991 -99.200 -91.000 HIS 106 0.900 19.627 74.209 129.622 -99.200 -91.000 HIS 133 0.900 31.044 74.466 108.418 -99.200 -91.000 TYR 136 0.840 29.978 79.241 117.102 -99.200 -91.000 HIS 141 0.900 26.531 83.927 115.958 -99.200 -91.000 HIS 142 0.900 26.462 84.484 124.241 -99.200 -91.000 PHE 164 1.000 23.138 71.812 87.873 -99.200 -91.000 HIS 175 0.900 10.900 62.311 109.652 -99.200 -91.000 TYR 177 0.840 6.749 54.590 113.913 -99.200 -91.000 HIS 188 0.900 0.017 65.753 118.226 -99.200 -91.000 PHE 223 1.000 13.313 73.870 99.672 -99.200 -91.000 TYR 271 0.840 26.305 60.145 93.106 -99.200 -91.000 HIS 286 0.900 27.802 60.347 104.550 -99.200 -91.000 PHE 305 1.000 12.725 60.666 94.963 -99.200 -91.000 TRP 307 1.040 17.636 56.733 100.447 -99.200 -91.000 TRP6 307 1.020 15.714 55.582 101.168 -99.200 -91.000 TYR 308 0.840 15.972 63.097 106.291 -99.200 -91.000 TRP 312 1.040 24.597 56.991 113.743 -99.200 -91.000 TRP6 312 1.020 24.821 56.324 116.001 -99.200 -91.000 TYR 314 0.840 19.381 67.167 114.319 -99.200 -91.000